CID 65019085

Ethyl 4-[(5-bromothiophen-2-yl)methoxy]benzoate

Structural Information

Molecular Formula
C14H13BrO3S
SMILES
CCOC(=O)C1=CC=C(C=C1)OCC2=CC=C(S2)Br
InChI
InChI=1S/C14H13BrO3S/c1-2-17-14(16)10-3-5-11(6-4-10)18-9-12-7-8-13(15)19-12/h3-8H,2,9H2,1H3
InChIKey
CEZUYJGLPSTJOK-UHFFFAOYSA-N
Compound name
ethyl 4-[(5-bromothiophen-2-yl)methoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.97687 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.98415 159.9
[M+Na]+ 362.96609 162.8
[M+NH4]+ 358.01069 164.7
[M+K]+ 378.94003 162.4
[M-H]- 338.96959 161.6
[M+Na-2H]- 360.95154 163.6
[M]+ 339.97632 160.0
[M]- 339.97742 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.